(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 613250-64-9) is a chemical compound with molecular formula C24H23N5OS and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-dimethylaminophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol, 4-{(1E)-2-[3-(phenylmethoxy)phenyl]-1-azavinyl}-5-[4-(dimethylamino)phenyl]-1, 2,4-triazole-3-thiol
| Molecular Formula | C24H23N5OS |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 5.13489 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.16232 |
| Heavy Atoms | 31 |
| Complexity | 1226.8267 |
Chemical Identifiers
| CAS Number | 613250-64-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OCC4=CC=CC=C4 |
Product Overview
(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 613250-64-9), with molecular formula C24H23N5OS and molecular weight 429.16 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.13489 indicates that (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is 613250-64-9.
What is the molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is C24H23N5OS.
What is the molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is 429.16 g/mol.
Where can I buy (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.